8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C16H21BrF2N2 — CID 62740896

IUPAC8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1c(F)cc(F)cc1Br
InChIInChI=1S/C16H21BrF2N2/c1-2-5-20-11-8-12-3-4-13(9-11)21(12)16-14(17)6-10(18)7-15(16)19/h6-7,11-13,20H,2-5,8-9H2,1H3
InChIKeyMRRVOPBIJQAQJF-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.23
Rot. Bonds4

About 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740896) has the molecular formula C16H21BrF2N2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740896
Molecular FormulaC16H21BrF2N2
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1c(F)cc(F)cc1Br
InChIInChI=1S/C16H21BrF2N2/c1-2-5-20-11-8-12-3-4-13(9-11)21(12)16-14(17)6-10(18)7-15(16)19/h6-7,11-13,20H,2-5,8-9H2,1H3
InChIKeyMRRVOPBIJQAQJF-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

9-(2-bromo-5-fluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639383
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
9-(2-bromo-4-chlorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81256584
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
8-(4-bromo-2,5-difluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107617029
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
5-fluoro-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 82017052
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713644
8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740382
9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712012
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739651

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740896) is 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2c1c(F)cc(F)cc1Br.
What is the InChIKey of 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MRRVOPBIJQAQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2N2/c1-2-5-20-11-8-12-3-4-13(9-11)21(12)16-14(17)6-10(18)7-15(16)19/h6-7,11-13,20H,2-5,8-9H2,1H3.
What are the key properties of 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 359.26 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-4,6-difluorophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).